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a strange ERROR for GW calculations

Posted: Mon Jul 25, 2011 7:15 pm
by amiri
Dear all
During the GW calculation i received the strange ERROR:

size_goed_fft : ERROR-
nbest = 65537
is larger than any allowable FFT

Does anyone knows the origin of this error?
My input, output and log file are attached to this e-mail.
Any suggestions will be appreciated
thanks

Re: a strange ERROR for GW calculations

Posted: Fri Oct 14, 2011 3:02 pm
by gabriel.antonius
Hi,

I believe there is some bug with the setup of the fft meshes for large cells.
Here is a work-around. Look in the log for a sensible fft mesh to use. Then can set the fft mesh manually with e.g.

fftgw 00
ngfft 24 24 180